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Substance Name: Pca 4230
RN: 113658-85-8
InChIKey: MCNAAGLIGWJLQX-UHFFFAOYSA-N

Note

  • Platelet activating factor inhibitor.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-N2-O7-S

Molecular Weight

  • 448.494
 
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Names and Synonyms

Name of Substance

  • PCA 4230

Synonyms

  • BRN 6547524
  • PCA 4230
  • Trombodipine

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,4,6-trimethyl-, ethyl 2-(3-oxo-1,2-benzisothiazol-2(3H)-yl)ethyl ester, S,S-dioxide

Registry Numbers

CAS Registry Number

  • 113658-85-8

System Generated Number

  • 0113658858

Structure Descriptors

InChI

1S/C21H24N2O7S/c1-5-29-20(25)17-12(2)18(14(4)22-13(17)3)21(26)30-11-10-23-19(24)15-8-6-7-9-16(15)31(23,27)28/h6-9,12,22H,5,10-11H2,1-4H3

InChIKey

MCNAAGLIGWJLQX-UHFFFAOYSA-N

Smiles

C1(=C([C@@H](C(=C(N1)C)C(OCC)=O)C)C(=O)OCCN1S(=O)(=O)c2c(cccc2)C1=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   Drugs of the Future. Vol. 17, Pg. 465, 1992.
mouse LD50 oral 1200mg/kg (1200mg/kg)   Drugs of the Future. Vol. 17, Pg. 465, 1992.
rat LD50 intraperitoneal 2gm/kg (2000mg/kg)   Drugs of the Future. Vol. 17, Pg. 465, 1992.
rat LD50 intravenous > 50mg/kg (50mg/kg)   Drugs of the Future. Vol. 17, Pg. 465, 1992.
rat LD50 oral > 8gm/kg (8000mg/kg)   Drugs of the Future. Vol. 17, Pg. 465, 1992.